Acta Crystallographica Section B

Structural Science

Volume 58, Part 1 (February 2002)

research papers

Acta Cryst. (2002). B58, 78-93 [ doi:10.1107/S010876810101850X ]

[Ni(cyclam)(OCOR)₂], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions

C. M. Zakaria, G. Ferguson, A. J. Lough and C. Glidewell

Abstract: In the complexes [Ni(cyclam)(OCOR)₂] (cyclam = 1,4,8,11-tetraazacyclotetradecane), where (RCOO)^- is 2-naphtho-ate [bis-(2-naphthoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (I), monoclinic P2₁/c, Z' = 0.5], 3,5-dinitrobenzoate [bis-(3,5-dinitrobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (II), triclinic P $\bar 1$ , Z' = 0.5], 4-nitrobenzoate [bis-(4-nitrobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (III), monoclinic P2₁/n, Z' = 0.5], 3-hydroxybenzoate [bis-(3-hydroxybenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (IV), monoclinic P2₁/c, Z' = 0.5] and 4-aminobenzo-ate [bis-(4-aminobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II), (V), monoclinic C2/c, Z' = 0.5], the Ni lies on a centre of inversion with monodentate carboxylato ligands occupying trans sites. Compound (I) consists of isolated molecules. In (II) and (III), N-HO hydrogen bonds link the complexes into chains. Compounds (IV) and (III) form two- and three-dimensional structures generated entirely by hard hydrogen bonds. The 5-hydroxyisophthalate(2-) anion forms a hydrated complex, [Ni(cyclam)(5-hydroxyisophthalate)(H₂O)]·4H₂O {[aqua-(5-hydroxyisophthalato)-1,4,8,11-tetraazacyclotetradecanenickel(II)] tetrahydrate, (VI), monoclinic Cc, Z' = 1}, in which the monodentate carboxylato ligand and a water molecule occupy trans sites at Ni: extensive hydrogen bonding links the molecular aggregates into a three-dimensional framework. The terephthalate(2-) anion forms a hydrated linear coordination polymer {catena-poly[terephthalato-1,4,8,11-tetraazacyclotetradecanenickel(II)] monohydrate, (VII), monoclinic C2/c, Z' = 0.5}. In 1,2,4,5-benzenecarboxylate tris[1,4,8,11-tetraazacyclotetradecanenickel(II)] diperchlorate hydrate (VIII), [Ni(cyclam)]₃·[1,2,4,5-benzenetetracarboxylate(4-)]·[ClO₄]₂·-[H₂O]₃, there are two distinct Ni sites: [Ni(cyclam)]²⁺ and centrosymmetric [C₁₀H₂O₈]^4- units form a two-dimensional coordination polymer, whose sheets are linked by centrosymmetric [Ni(cyclam)(H₂O)₂]²⁺ cations.

Keywords: supramolecular aggregation; coordination polymers; hydrogen bonds.


	Structure factor file (CIF format) (163.3 kbytes) Contains datablock I

	Structure factor file (CIF format) (153.9 kbytes) Contains datablock II

	Structure factor file (CIF format) (142.1 kbytes) Contains datablock III

	Structure factor file (CIF format) (133.7 kbytes) Contains datablock IV

	Structure factor file (CIF format) (138.7 kbytes) Contains datablock V

	Structure factor file (CIF format) (134.1 kbytes) Contains datablock VI

	Structure factor file (CIF format) (114.8 kbytes) Contains datablock VII

	Structure factor file (CIF format) (307.3 kbytes) Contains datablock VIII

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